1-(4-Methylbenzyl)-5-oxo-3-pyrrolidinecarboxylic acid
[CAS# 96449-91-1]

Identification

• Name: 1-(4-Methylbenzyl)-5-oxo-3-pyrrolidinecarboxylic acid
• Synonyms: 1-(4-methylbenzyl)-5-oxo-3-pyrrolidinecarboxylic acid; 1-(4-Methyl-benzyl)-5-oxo-pyrrolidine-3-; 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
• Molecular Formula: C₁₃H₁₅NO₃
• Molecular Weight: 233.26
• CAS Registry Number: 96449-91-1
• SMILES: CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)O
• InChI: 1S/C13H15NO3/c1-9-2-4-10(5-3-9)7-14-8-11(13(16)17)6-12(14)15/h2-5,11H,6-8H2,1H3,(H,16,17)
• InChIKey: NBQXYAJLUDQSNV-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 478.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 243.3±28.7°C (Cal.)

Safety Data

• Safety Description: IRRITANT